kopsine
AlkaPlorer ID: AK015428
Synonym: '', 'Kopsine'
IUPAC Name: methyl (1R,4S,12R,13S,16R,18S)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2[C@@]23[C@@H]4CN5CCC[C@]6(CC[C@]12[C@@](O)(C6)C4=O)[C@H]53
InChI: InChI=1S/C22H24N2O4/c1-28-18(26)24-15-6-3-2-5-13(15)22-14-11-23-10-4-7-19(17(22)23)8-9-21(22,24)20(27,12-19)16(14)25/h2-3,5-6,14,17,27H,4,7-12H2,1H3/t14-,17+,19-,20-,21-,22+/m1/s1
InChIKey: YROYAGSZNDUMIF-MQVQQYNVSA-N
Reference
On an Alkaloid of <i>Kopsia Fruticosa</i>. I
PubChem CID: 20054949
CAS: 559-48-8
LOTUS: LTS0067782
SuperNatural Ⅲ: SN0458412-10
Source
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Properties Information
Molecule Weight: 380.4440000000002
TPSA？: 70.08000000000001
MolLogP？: 1.8415
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
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